Geometry & MOs

Info

ID:	303653
PubChem CID:	124490003
Reduced:	O4N5C19H27 (1)
Stoich.:	A4B5C19D27 (1)
Weight, g/mol:	326.114081
ΔH_f, kcal/mol:	-135.91
Dipole, Da:	1.6
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-hydroxy-N-(2-methoxyphenyl)-3-methyl-1-oxoquinoxalin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H](O[C@@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)NC5CCCCC5)CO)C

DOS

IR

Vibrations